N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

C₂₀H₄₂N₂O₄S₂Si₂ — CID 156777812

About N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 156777812) has the molecular formula C₂₀H₄₂N₂O₄S₂Si₂ and a molecular weight of 494.87 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• PubChem CID: 156777812
• Molecular Formula: C₂₀H₄₂N₂O₄S₂Si₂
• Molecular Weight: 494.87 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• SMILES: CC(O[Si](C)(C)C(C)(C)C)c1nc(C(C)(C)O)sc1S(=O)(=O)N[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H42N2O4S2Si2/c1-14(26-30(12,13)19(5,6)7)15-16(27-17(21-15)20(8,9)23)28(24,25)22-29(10,11)18(2,3)4/h14,22-23H,1-13H3
• InChIKey: WRYROCRQUOLPLI-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.87
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 156777812) is N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(O[Si](C)(C)C(C)(C)C)c1nc(C(C)(C)O)sc1S(=O)(=O)N[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The InChIKey is WRYROCRQUOLPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O4S2Si2/c1-14(26-30(12,13)19(5,6)7)15-16(27-17(21-15)20(8,9)23)28(24,25)22-29(10,11)18(2,3)4/h14,22-23H,1-13H3.

What are the key properties of N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 494.87 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[tert-butyl(dimethyl)silyl]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 156777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156777812 — identifiers, structure, computed properties (public domain)

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